4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate
4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 8014-1139 |
| Compound Name: | 4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 503.25 |
| Molecular Formula: | C22 H12 Cl2 N2 O8 |
| Smiles: | COc1cc(cc2C=C(C(=O)Oc3ccc(cc3)Oc3c(cc(cn3)[Cl])[Cl])C(=O)Oc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9572 |
| logD: | 4.9572 |
| logSw: | -5.1927 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.877 |
| InChI Key: | CIKFUMNDPOFOHO-UHFFFAOYSA-N |